1-methylsulfonyl-4-phenylpiperidin-4-ol

C12H17NO3S — CID 90920425

IUPAC1-methylsulfonyl-4-phenylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H17NO3S/c1-17(15,16)13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyRFEPJCCCFVZACQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.93
Rot. Bonds2

About 1-methylsulfonyl-4-phenylpiperidin-4-ol

1-methylsulfonyl-4-phenylpiperidin-4-ol (PubChem CID 90920425) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-methylsulfonyl-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-methylsulfonyl-4-phenylpiperidin-4-ol
PubChem CID90920425
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-methylsulfonyl-4-phenylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C12H17NO3S/c1-17(15,16)13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyRFEPJCCCFVZACQ-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-4-phenylpiperidine-4-carbonitrile
CID 110711565
1-cyclopropylsulfonyl-4-phenylazepan-4-ol
CID 58282889
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
1-(4-fluoro-3-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-ol
CID 167803282
ethane;1-phenylcyclohexan-1-ol
CID 144640846
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
azane;1-phenylcyclobutan-1-ol
CID 175547532
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 52999238
methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-phenylpiperidin-4-ol?
The IUPAC name of 1-methylsulfonyl-4-phenylpiperidin-4-ol (CID 90920425) is 1-methylsulfonyl-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-methylsulfonyl-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-methylsulfonyl-4-phenylpiperidin-4-ol is CS(=O)(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-phenylpiperidin-4-ol?
The InChIKey is RFEPJCCCFVZACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-17(15,16)13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 1-methylsulfonyl-4-phenylpiperidin-4-ol?
1-methylsulfonyl-4-phenylpiperidin-4-ol has a molecular weight of 255.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-phenylpiperidin-4-ol is sourced from PubChem (CID 90920425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).